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2-({5-[(3-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-5-(3,4-dimethoxyphenyl)-2H-tetraazole

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2-({5-[(3-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-5-(3,4-dimethoxyphenyl)-2H-tetraazole
SpectraBase Compound ID GOmXAp7aBUL
InChI InChI=1S/C21H22ClN7O2S/c1-4-28-19(23-25-21(28)32-13-14-6-5-7-16(22)10-14)12-29-26-20(24-27-29)15-8-9-17(30-2)18(11-15)31-3/h5-11H,4,12-13H2,1-3H3
InChIKey UKXNLRHDOBBCDC-UHFFFAOYSA-N
Mol Weight 471.97 g/mol
Molecular Formula C21H22ClN7O2S
Exact Mass 471.124422 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 362hXmYGpii
Name 2-({5-[(3-chlorobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-5-(3,4-dimethoxyphenyl)-2H-tetraazole
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H22ClN7O2S/c1-4-28-19(23-25-21(28)32-13-14-6-5-7-16(22)10-14)12-29-26-20(24-27-29)15-8-9-17(30-2)18(11-15)31-3/h5-11H,4,12-13H2,1-3H3
InChIKey UKXNLRHDOBBCDC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_36043
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: E98641; SBI_ID: SBI-036047
Temperature 298 °C